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CS-W001157 4
Total: USD 88.00

1-Methylpiperazin-2-one

  • CAS No. 59702-07-7

  • Cat. No. CS-D0697
  • Purity≥95%
  • MDL No.MFCD00102572

*For research and further manufacturing use only, not for direct human use.

1-Methylpiperazin-2-one|CS-D0697

Structure of 59702-07-7

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General Information

  • CAS No. 59702-07-7
  • Cat. No. CS-D0697
  • Purity ≥95%
  • MDL No. MFCD00102572
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀N₂O
  • Molecular Weight 114.15
  • Synonym(s) 1-Methylpiperazin-2-on
  • SMILES O=C1N(C)CCNC1

Description

1-Methylpiperazin-2-one features a rigid, electron-deficient heterocyclic core that enhances metabolic stability and improves membrane permeability. This scaffold integrates readily into bioactive molecules, serving as a key amide-isostere in medicinal chemistry. Its bench-stable nature facilitates handling under standard conditions.

Application

1-Methylpiperazin-2-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to diverse pharmacophores. Its amide functionality and nitrogen-rich framework facilitate conjugation in Suzuki-Miyaura and Buchwald-Hartwig couplings, while the piperazinone core offers favorable solubility and metabolic stability. Bench-stable and readily purified by chromatography, it functions as a key scaffold for targeted synthesis of kinase inhibitors and CNS-active compounds.

Synthesis

  • Route1
    • Benzyl 4-Methyl-3-oxo-3,4-dihydropyrazine-1(2H)-carboxylate|CS-0769743
      851726-65-3
    • ~%
    • In-stock
      1-Methylpiperazin-2-one|CS-D0697
      59702-07-7

    References

    • WO2007/50510 A2, ; Page/Page column 30 ;
  • Route2
    • null|null
      110-85-0
    • ~92%
    • In-stock
      1-Methylpiperazin-2-one|CS-D0697
      59702-07-7

    References

    • Toyama Chemical Co., Ltd. Patent: US4087424 A1, 1978 ; Title/Abstract Full Text Show Details Toyama Chemical Co., Ltd. Patent: US4112090 A1, 1978 ;
  • Route3

    References

    • EP1785418 A1, ; Page/Page column 63 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   -0.952
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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